(3E)-3-benzylidene-2,6-diphenylthian-4-one
Formula:C24H20OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-benzylidene-2,6-diphenylthian-4-one is not a drug-like molecule.
| MolName | (3E)-3-benzylidene-2,6-diphenylthian-4-one |
| MolecularFormula | C24H20OS |
| Smiles | O=C(CC(c1ccccc1)SC1c2ccccc2)/C1=C\c1ccccc1 |
| InChI | InChI=1S/C24H20OS/c25-22-17-23(19-12-6-2-7-13-19)26-24(20-14-8-3-9-15-20)21(22)16-18-10-4-1-5-11-18/h1-16,23-24H,17H2 |
| InChIK | APOLUKMMVZLGCM-UHFFFAOYSA-N |
| TotalMolweight | 356.488 |
| Molweight | 356.488 |
| MonoisotopicMass | 356.123485 |
| CLogP | 7.1025 |
| CLogS | -5.245 |
| H Acceptors | 1 |
| TotalSurfaceArea | 277.99 |
| Relative PSA | 0.10982 |
| PolarSurfaceArea | 42.37 |
| Druglikeness | 2.6767 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| StereoCon | unknown chirality |
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